SCHEMBL16724079

SCHEMBL16724079

CC1(C)c2cccc(-c3ccc(Cl)cc3)c2Sc2c1ccc1c2-c2ccccc2C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.37
PTGS2 P35354 3/20 0.34
PDK2 Q15119 1/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A4 P31645 1/20 0.32
PTGS1 P23219 2/20 0.31
ALOX5 P09917 1/20 0.31
KMT2A Q03164 2/20 0.30
CYP1A2 P05177 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16858259 0.82 PGR (0.44) PGRPTGS2PDK2SLC6A3SLC6A4
SCHEMBL16723952 0.82 DRD1 (0.35)
SCHEMBL16787345 0.82 PGR (0.37) PGRPTGS2PDK2SLC6A3SLC6A4
SCHEMBL25124681 0.80 PTGS2 (0.42) PGRPTGS2PDK2SLC6A3SLC6A4
SCHEMBL16723950 0.80 ALOX5 (0.33) ALOX5
SCHEMBL16723973 0.77 ALOX5 (0.32) ALOX5
SCHEMBL16723984 0.77
SCHEMBL16724031 0.77 PDK2 (0.32) PDK2
SCHEMBL16723786 0.77 DRD1 (0.31)
SCHEMBL4554312 0.75 PGR (0.38) PGRPTGS2PDK2SLC6A3SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9368733-B2 Compound for organic optoelectronic device, organic light-emitting device containing the same, and display device including said organic light-emitting device SAMSUNG SDI CO., LTD. (KR) 2016-06-14 US disclosed
US-9368733-B2 Compound for organic optoelectronic device, organic light-emitting device containing the same, and display device including said organic light-emitting device SAMSUNG SDI CO., LTD. (KR) 2016-06-14 US disclosed
US-20150137111-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME, AND DISPLAY DEVICE INCLUDING SAID ORGANIC LIGHT-EMITTING DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-05-21 US disclosed
US-20150137111-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME, AND DISPLAY DEVICE INCLUDING SAID ORGANIC LIGHT-EMITTING DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-05-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150137111-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME, AND DISPLAY DEVICE INCLUDING SAID ORGANIC LIGHT-EMITTING DEVICE OR51E2, AOX1, OCIAD1 PGR 4727/4885PTGS2 2333/4885PDK2 2068/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.